Geometry & MOs

Info

ID:

219290

PubChem CID:

85098494

Reduced:

O14C37H44 (1)

Stoich.:

A14B37C44 (1)

Weight, g/mol:

713.468727

ΔHf, kcal/mol:

-550.43

Dipole, Da:

4.14

IP(EA), eV:

 -9.65(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5=C(CC(C5=O)(C)C)C(C2OC(=O)C)(C4OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O

DOS

IR

Vibrations